CID 57929194

1161783-84-1

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(17)13-6-4-8(5-7-13)9(14)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKey
ARQJBRHHZFTDLY-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.1263 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.8
[M+Na]+ 280.11552 160.9
[M-H]- 256.11902 156.9
[M+NH4]+ 275.16012 171.4
[M+K]+ 296.08946 160.9
[M+H-H2O]+ 240.12356 151.0
[M+HCOO]- 302.12450 170.5
[M+CH3COO]- 316.14015 191.5
[M+Na-2H]- 278.10097 157.2
[M]+ 257.12575 155.3
[M]- 257.12685 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe